SCHEMBL7912633

SCHEMBL7912633

CCCCCCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(-c4ccc(CF)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 3/20 0.33
FASN P49327 1/20 0.33
RARB P10826 1/20 0.33
SPHK1 Q9NYA1 3/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
APP P05067 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7912638 1.00 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL7912636 1.00 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL10659185 0.86 CYP3A4 (0.43) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL8448230 0.86 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL8448424 0.86 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL8448232 0.86 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL8448422 0.86 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL8448420 0.86 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL8448234 0.86 MAPT (0.35) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL12625066 0.85 GRM2 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed